N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine

C16H10N6S2 — CID 122419055

IUPACN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(-c5ccsc5)nsc4c3)[nH]nc2n1
InChIInChI=1S/C16H10N6S2/c1-2-11-12(24-22-13(11)9-3-6-23-8-9)7-10(1)19-16-14-15(20-21-16)18-5-4-17-14/h1-8H,(H2,18,19,20,21)
InChIKeyNWIOCPGZWFLHDK-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.43
Rot. Bonds3

About N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine

N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine (PubChem CID 122419055) has the molecular formula C16H10N6S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine
PubChem CID122419055
Molecular FormulaC16H10N6S2
Molecular Weight350.43 g/mol
Exact Mass350.04
IUPAC NameN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(-c5ccsc5)nsc4c3)[nH]nc2n1
InChIInChI=1S/C16H10N6S2/c1-2-11-12(24-22-13(11)9-3-6-23-8-9)7-10(1)19-16-14-15(20-21-16)18-5-4-17-14/h1-8H,(H2,18,19,20,21)
InChIKeyNWIOCPGZWFLHDK-UHFFFAOYSA-N
XLogP4.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine?
The IUPAC name of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine (CID 122419055) is N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine.
What is the SMILES notation for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine?
The canonical SMILES for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine is c1cnc2c(Nc3ccc4c(-c5ccsc5)nsc4c3)[nH]nc2n1.
What is the InChIKey of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine?
The InChIKey is NWIOCPGZWFLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6S2/c1-2-11-12(24-22-13(11)9-3-6-23-8-9)7-10(1)19-16-14-15(20-21-16)18-5-4-17-14/h1-8H,(H2,18,19,20,21).
What are the key properties of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine?
N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine has a molecular weight of 350.43 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-thiophen-3-yl-1,2-benzothiazol-6-amine is sourced from PubChem (CID 122419055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).